Numerical models for simulating reactive flow of HCl and CO2-rich water in cm-scale limestone samples [Dataset]

This dataset is composed of the files required for simulating laboratory-scale injection of CO2-saturated water and HCl solution into cm-scale limestone samples. Six files required for simulating the CO2 injection experiment are included in the folder named CO2. The names of these files are as follows: “CO2-input”: input file read by the Crunchflow code and providing the necessary physical and chemical parameters needed for the simulation -these parameters mainly include time intervals, discretization, initial and boundary conditions, geochemical conditions-; “database”: geochemical database for running the simulation; “64bit-libiomp5md”: A dynamic link library (DLL) required to run the Crunchflow code; “Perm.in.x”: permeability file in X direction for all grids; “Perm.in.y”: permeability file in Y direction for all grids; “Perm.in.z”: permeability file in Z direction for all grids. The same files for simulating the HCl injection experiment are included in the folder named HCl. This folder includes two input files “HCl-input-1” and “HCl-input-2” (instead of one) required for simulating the two stages of HCl solution injection into the limestone sample. To run the simulations, one needs to execute the Crunchflow executable file and enter the name of the input file, i.e., either “CO2-input” or “HCl-input-1” with the suffix “.in” in the command window and press enter. Note that in the HCl injection case, you only need to run the “HCl-input-1” file. The second input file will be read at the proper time by the keyword “later_inputfiles HCl-input-2.in” defined in the “HCl-input-1”.